Abstract
The elevation function on a smoothly embedded 2-manifold in ℝ3 reflects the multiscale topography of cavities and protrusions as local maxima. The function has been useful in identifying coarse docking configurations for protein pairs. Transporting the concept from the smooth to the piecewise linear category, this paper describes an algorithm for finding all local maxima. While its worst-case running time is the same as of the algorithm used in prior work, its performance in practice is orders of magnitudes superior. We cast light on this improvement by relating the running time to the total absolute Gaussian curvature of the 2-manifold.
This research is partially supported by the Defense Advanced Research Projects Agency (DARPA) under grants HR0011-05-1-0007 and HR0011-05-1-0057.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Computational Geometry Algorithms Library, http://www.cgal.org
Banchoff, T.F.: Critical points and curvature for embedded polyhedral surfaces. Amer. Math. Monthly 77, 475–485 (1970)
The biogeometry web-pages, http://www.biogeometry.duke.edu
Agarwal, P.K., Edelsbrunner, H., Harer, J., Wang, Y.: Extreme elevation on a 2-manifold. Discrete Comput. Geom. 36, 553–572 (2006)
Alboul, L., Echeverria, G.: Polyhedral Gauss maps and curvature characterization of triangle meshes. LNCS, vol. 3605, pp. 14–33. Springer, Heidelberg (2005)
Cazals, F., Chazal, F., Lewiner, T.: Molecular shape analysis based upon the Morse-Smale complex and the Connolly function. In: Proc. 19th Ann. Sympos. Comput. Geom., pp. 351–360 (2003)
Cheng, H.L., Dey, T.K., Edelsbrunner, H., Sullivan, J.: Dynamic skin triangulation. Discrete Comput. Geom. 25, 525–568 (2001)
Cohen-Steiner, D., Edelsbrunner, H., Harer, J.: Stability of persistence diagrams. Discrete Comput. Geom. 37, 103–120 (2007)
Cohen-Steiner, D., Edelsbrunner, H., Harer, J.: Extending persistence using Poincaré and Lefschetz duality. Found. Comput. Math. (to appear)
Cole-McLaughlin, K., Edelsbrunner, H., Harer, J., Natarajan, V., Pascucci, V.: Loops in Reeb graphs of 2-manifolds. Discrete Comput. Geom. 32, 231–244 (2004)
Connolly, M.L.: Analytic molecular surface calculation. J. Appl. Crystallogr. 6, 548–558 (1983)
Connolly, M.L.: Shape complementarity at the hemoglobin albl subunit interface. Biopolymers 25, 1229–1247 (1986)
de Berg, M., van Kreveld, M., Overmars, M., Schwarzkopf, O.: Computational Geometry — Algorithms and Applications. Springer, Berlin (1997)
Edelsbrunner, H.: Deformable smooth surface design. Discrete Comput. Geom. 21, 87–115 (1999)
Edelsbrunner, H., Letscher, D., Zomorodian, A.: Topological persistence and simplification. Discrete Comput. Geom. 28, 511–533 (2002)
Georgiadis, L., Tarjan, R., Werneck, R.F.: Design of data structure for mergeable trees. In: Proc. 17th Ann. ACM-SIAM Sympos. Discrete Algorithm, pp. 394–403 (2006)
Morvan, J.: Generalized Curvatures. Springer, Heidelberg (2008)
Munkres, J.R.: Elements of Algebraic Topology. Addison-Wesley, Reading (1984)
Petterson, E.F., Goddard, T.D., Huang, C.C., Gouch, G.S., Greenblatt, D.M., Meng, E.C., Ferrin, T.E.: UCSF Chimera — a visualization system for exploratory research and analysis. J. Comput. Chem. 25, 1605–1612 (2004)
Sanner, M.F., Olson, A.J.: Reduced surface: an efficient way to compute molecular surfaces. Biopolymers 38, 305–320 (1996)
Santaló, L.: Integral geometry and geometric probability. Addison-Wesley, Reading (1976)
Cohen-Steiner, D., Morvan, J.: Second fundamental measure of geometric sets and local approximation of curvatures. J. Differential Geom. 74(3), 363–394 (2006)
Wang, Y., Agarwal, P.K., Brown, P., Edelsbrunner, H., Rudolph, J.: Course and reliable geometric alignment for protein docking. In: Proc. Pacific Sympos. Biocomputing 2005, pp. 64–75. World Scientific, Singapore (2005)
Welzl, E.: Smallest enclosing disks (balls and ellipsoids). In: Maurer, H.A. (ed.) New Results and New Trends in Computer Science. LNCS, vol. 555, pp. 359–370. Springer, Heidelberg (1991)
Zomorodian, A., Edelsbrunner, H.: Fast software for box intersections. Internat. J. Comput. Geom. Appl. 12, 143–172 (2002)
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2009 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Wang, B., Edelsbrunner, H., Morozov, D. (2009). Computing Elevation Maxima by Searching the Gauss Sphere. In: Vahrenhold, J. (eds) Experimental Algorithms. SEA 2009. Lecture Notes in Computer Science, vol 5526. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-02011-7_26
Download citation
DOI: https://doi.org/10.1007/978-3-642-02011-7_26
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-02010-0
Online ISBN: 978-3-642-02011-7
eBook Packages: Computer ScienceComputer Science (R0)